N4,N6-bis(4-dimethylaminophenyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(4-dimethylaminophenyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(4-dimethylaminophenyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(4-dimethylaminophenyl)-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(4-dimethylaminophenyl)-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [4-[[6-[4-(dimethylamino)anilino]-2-methyl-5-nitro-pyrimidin-4-yl]amino]phenyl]-dimethyl-amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)N(C)C)[N+](=O)[O-])NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)N(C)C)[N+](=O)[O-])NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H25N7O2/c1-14-22-20(24-15-6-10-17(11-7-15)26(2)3)19(28(29)30)21(23-14)25-16-8-12-18(13-9-16)27(4)5/h6-13H,1-5H3,(H2,22,23,24,25)